{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.931726 1.779285 1.793394 ] [ 2.022352 0.7174538 3.630998 ] [ 4.124201 0.9725878 2.711634 ] [ 3.467636 2.844975 3.645464 ] [ 5.471294 3.704408 2.165903 ] [ 3.262896 3.451778 1.529715 ] [ 3.831227 5.45457 3.339943 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.931726e-10 1.779285e-10 1.793394e-10 ] [ 2.022352e-10 7.174538e-11 3.630998e-10 ] [ 4.124201e-10 9.725878e-11 2.711634e-10 ] [ 3.467636e-10 2.844975e-10 3.645464e-10 ] [ 5.471294000000001e-10 3.704408e-10 2.165903e-10 ] [ 3.262896e-10 3.451778e-10 1.529715e-10 ] [ 3.831227000000001e-10 5.454570000000001e-10 3.339943e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.0567904 -0.5972073 -2.6958898 ] [ 0.7210539 -0.8860682 3.0177447 ] [ 0.3867513 -2.0782361 -1.1202788 ] [ 0.0193722 1.9946103 2.3160067 ] [ -1.5762343 0.4054098 1.5904346 ] [ 0.6884034 3.5256386 -1.9553906 ] [ 0.817444 -2.3641473 -1.1526268 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.693164885915513e-09 -9.568315817142281e-10 -4.319291645398933e-09 ] [ 1.155255710434572e-09 -1.419637766170439e-09 4.83496004571734e-09 ] [ 6.196438960291242e-10 -3.329701319355287e-09 -1.794884516925559e-09 ] [ 3.10376861891748e-11 3.19571801659573e-09 3.710651818927447e-09 ] [ -2.525405765169346e-09 6.495381087546132e-10 2.548157154025136e-09 ] [ 1.102943842246156e-09 5.648695784848472e-09 -3.13288112966324e-09 ] [ 1.309689676403496e-09 -3.787781563394188e-09 -1.846711726682191e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -25.501531 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.085795709942665e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0511153 1.8889428 1.8557285 ] [ 2.250078 0.7098441 3.8960913 ] [ 4.0496006 0.9037201 2.4620477 ] [ 3.3509498 2.8727063 3.6713176 ] [ 5.2941934 3.5456541 2.4897318 ] [ 3.3276923 3.7992435 1.3146684 ] [ 3.7877026 5.2049467 3.1274658 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0511153e-10 1.8889428e-10 1.8557285e-10 ] [ 2.250078e-10 7.098441e-11 3.8960913e-10 ] [ 4.0496006e-10 9.037201e-11 2.4620477e-10 ] [ 3.3509498e-10 2.8727063e-10 3.6713176e-10 ] [ 5.294193400000001e-10 3.5456541e-10 2.4897318e-10 ] [ 3.3276923e-10 3.799243500000001e-10 1.3146684e-10 ] [ 3.7877026e-10 5.2049467e-10 3.1274658e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.53e-05 -4e-06 -6.01e-05 ] [ -2.49e-05 3.34e-05 7.4e-05 ] [ 0.0001115 5.64e-05 1.21e-05 ] [ -2.7e-05 -1.3e-05 -9.68e-05 ] [ -3.52e-05 -6.94e-05 -3.54e-05 ] [ -4.1e-06 -1.13e-05 3.45e-05 ] [ 1.5e-05 7.9e-06 7.18e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.655683518019999e-14 -6.408706535999999e-15 -9.629081570339999e-14 ] [ -3.989419818659999e-14 5.351269957559999e-14 1.18561070916e-13 ] [ 1.78642694691e-13 9.03627621576e-14 1.93863372714e-14 ] [ -4.325876911799999e-14 -2.082829624199999e-14 -1.550906981712e-13 ] [ -5.63966175168e-14 -1.111910583996e-13 -5.671705284359999e-14 ] [ -6.568924199399999e-15 -1.81045959642e-14 5.527509387299999e-14 ] [ 2.403264951e-14 1.26571954086e-14 1.150362823212e-13 ] ] } "relaxed-potential-energy" { "source-value" -28.37919 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.546847510984646e-18 } }